N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

C21H27NOS — CID 132652315

IUPACN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCC(NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NOS/c1-5-20(19-11-8-16(3)12-17(19)4)22-21(23)14-24-13-18-9-6-15(2)7-10-18/h6-12,20H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyGUDUJKINTZDISL-UHFFFAOYSA-N
MW341.52 g/mol
LogP5.11
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide

N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 132652315) has the molecular formula C21H27NOS and a molecular weight of 341.52 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID132652315
Molecular FormulaC21H27NOS
Molecular Weight341.52 g/mol
Exact Mass341.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCCC(NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1C
InChIInChI=1S/C21H27NOS/c1-5-20(19-11-8-16(3)12-17(19)4)22-21(23)14-24-13-18-9-6-15(2)7-10-18/h6-12,20H,5,13-14H2,1-4H3,(H,22,23)
InChIKeyGUDUJKINTZDISL-UHFFFAOYSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.52
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132660242
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-[1-(2,4-dimethylphenyl)propyl]-3-(4-methylphenyl)propanamide
CID 132650390
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43387373
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 92672507
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
2-(4-chlorophenyl)sulfanyl-N-[1-(2,4-dimethylphenyl)propyl]acetamide
CID 132652855
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
N-[1-(3,4-dimethylphenyl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 132652658
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanedioic acid
CID 78910243
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94014092
2-[(3-chlorophenyl)methylsulfanyl]-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 92675751

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 132652315) is N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is CCC(NC(=O)CSCc1ccc(C)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is GUDUJKINTZDISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NOS/c1-5-20(19-11-8-16(3)12-17(19)4)22-21(23)14-24-13-18-9-6-15(2)7-10-18/h6-12,20H,5,13-14H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 341.52 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 132652315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).